4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile

C40H20F6N4 — CID 146237826

IUPAC4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C40H20F6N4/c41-39(42,43)26-12-14-30-28-8-1-3-10-33(28)49(37(30)18-26)35-20-32(24-7-5-6-23(16-24)21-47)36(17-25(35)22-48)50-34-11-4-2-9-29(34)31-15-13-27(19-38(31)50)40(44,45)46/h1-20H
InChIKeyOCVISJAPHBESBP-UHFFFAOYSA-N
MW670.62 g/mol
LogP11.33
Rot. Bonds3

About 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile

4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 146237826) has the molecular formula C40H20F6N4 and a molecular weight of 670.62 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
PubChem CID146237826
Molecular FormulaC40H20F6N4
Molecular Weight670.62 g/mol
Exact Mass670.16
IUPAC Name4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C40H20F6N4/c41-39(42,43)26-12-14-30-28-8-1-3-10-33(28)49(37(30)18-26)35-20-32(24-7-5-6-23(16-24)21-47)36(17-25(35)22-48)50-34-11-4-2-9-29(34)31-15-13-27(19-38(31)50)40(44,45)46/h1-20H
InChIKeyOCVISJAPHBESBP-UHFFFAOYSA-N
XLogP11.33
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.62
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
CID 142502036
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
5-carbazol-9-yl-2-(3-cyanophenyl)-4-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 155646850
4,5-bis(2-tert-butylcarbazol-9-yl)-2-(3-cyanophenyl)benzonitrile
CID 146238034
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 155427496
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]-5-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 153302998
5-[2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 149305061
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377959
2,5-bis(3-tert-butylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427652

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 146237826) is 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1.
What is the InChIKey of 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The InChIKey is OCVISJAPHBESBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20F6N4/c41-39(42,43)26-12-14-30-28-8-1-3-10-33(28)49(37(30)18-26)35-20-32(24-7-5-6-23(16-24)21-47)36(17-25(35)22-48)50-34-11-4-2-9-29(34)31-15-13-27(19-38(31)50)40(44,45)46/h1-20H.
What are the key properties of 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 670.62 g/mol, XLogP of 11.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 146237826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).